3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C19H26N2O3 — CID 45253107

IUPAC3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1CCC1CCCN(C(=O)CN2CCOC2=O)C1
InChIInChI=1S/C19H26N2O3/c1-15-5-2-3-7-17(15)9-8-16-6-4-10-20(13-16)18(22)14-21-11-12-24-19(21)23/h2-3,5,7,16H,4,6,8-14H2,1H3
InChIKeyPXZNCMCHMIXJAK-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.62
Rot. Bonds5

About 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 45253107) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID45253107
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1CCC1CCCN(C(=O)CN2CCOC2=O)C1
InChIInChI=1S/C19H26N2O3/c1-15-5-2-3-7-17(15)9-8-16-6-4-10-20(13-16)18(22)14-21-11-12-24-19(21)23/h2-3,5,7,16H,4,6,8-14H2,1H3
InChIKeyPXZNCMCHMIXJAK-UHFFFAOYSA-N
XLogP2.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 42213904
3-[2-oxo-2-[3-(2-phenylethyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45215381
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
3-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 42190908
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56878402
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
1-[3-(2-bromoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 80668955
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
6-methyl-5-[2-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95545178
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 45253107) is 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1ccccc1CCC1CCCN(C(=O)CN2CCOC2=O)C1.
What is the InChIKey of 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is PXZNCMCHMIXJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15-5-2-3-7-17(15)9-8-16-6-4-10-20(13-16)18(22)14-21-11-12-24-19(21)23/h2-3,5,7,16H,4,6,8-14H2,1H3.
What are the key properties of 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45253107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).